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Por favor, use este identificador para citar o enlazar este ítem: http://uvadoc.uva.es/handle/10324/33729
Título: {001} loops in silicon unraveled
Autor: Marqués Cuesta, Luis Alberto
Aboy Cebrián, María
Ruiz Prieto, Manuel
Santos Tejido, Iván
López Martín, Pedro
Pelaz Montes, María Lourdes
Año del Documento: 2019
Editorial: Elsevier
Descripción: Producción Científica
Documento Fuente: Acta Materialia, 2019, Volume 166, Pages 192-201
Resumen: By using classical molecular dynamics simulations and a novel technique to identify defects based on the calculation of atomic strain, we have elucidated the detailed mechanisms leading to the anomalous generation and growth of {001} loops found after ultra-fast laser annealing of ion-implanted Si. We show that the building block of the {001} loops is the very stable Arai tetra-interstitial [N. Arai, S. Takeda, M. Kohyama, Phys. Rev. Lett. 78, 4265 (1997)], but their growth is kinetically prevented within conventional Ostwald ripening mechanisms under standard processing conditions. However, our simulations predict that at temperatures close to the Si melting point, Arai tetra-interstitials directly nucleate at the boundaries of fast diffusing self-interstitial agglomerates, which merge by a coalescence mechanism reaching large sizes in the nanosecond timescale. We demonstrate that the crystallization of such agglomerates into {001} loops and their subsequent growth is mediated by the tensile and compressive strain fields that develop concurrently around the loops. We also show that further annealing produces the unfaulting of {001} loops into perfect dislocations. Besides, from the simulations we have fully characterized the {001} loops, determining their atomic structure, interstitial density and formation energy.
Palabras Clave: Silicio
Dinámica molecular
Tratamiento láser
Silicon
Molecular dynamics
Laser treatment
Revisión por Pares: SI
DOI: https://doi.org/10.1016/j.actamat.2018.12.052
Patrocinador: Ministerio de Ciencia e Innovación (Project TEC2014-60694-P)
Junta de Castilla y León (programa de apoyo a proyectos de investigación - Ref. VA119G18)
Version del Editor: https://www.sciencedirect.com/science/article/pii/S1359645418310036
Propietario de los Derechos: © 2018 Elsevier
Idioma: eng
URI: http://uvadoc.uva.es/handle/10324/33729
Derechos: info:eu-repo/semantics/openAccess
Embargado hasta2020-12-30
Aparece en las colecciones:Electrónica - Artículos de revista
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